[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H24ClNO5S/c1-16(21(25)17-9-5-4-6-10-17)29-22(26)18-11-12-19(23)20(15-18)30(27,28)24-13-7-2-3-8-14-24/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3/t16-/m0/s1